Sugi Predict

Sugi Predict / Compounds / SCHEMBL3101199

SCHEMBL3101199

SCHEMBL3101199

N#Cc1ccc(C(=O)C(C#N)C2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.54
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ CTSG P08311 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30737582 0.83 RAPGEF3 (0.41) CA1CA2NPC1ALDH1A1
SCHEMBL20075532 0.83 LMNA (0.46) CA1CA2NPC1RAB9ASLC6A3
SCHEMBL2305237 0.83 GSK3B (0.47) GSK3BCA1CA2NPC1RAB9A
SCHEMBL16234822 0.80 GSK3B (0.54) GSK3BCA1CA2NPC1RAB9A
SCHEMBL25218415 0.80 ESR2 (0.43) ALDH1A1
SCHEMBL30737664 0.76 EPHX1 (0.44) NPC1RAB9ASLC6A3ALDH1A1EPHX1
SCHEMBL2306368 0.76 S1PR3 (0.44) —
SCHEMBL19926274 0.75 LMNA (0.43) NPC1RAB9AALDH1A1
SCHEMBL8953567 0.74 GSK3B (0.51) GSK3BCA1CA2NPC1RAB9A
SCHEMBL2304365 0.72 GSK3B (0.61) GSK3BCA1CA2SLC6A3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 — — US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 — — US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 — — US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 — — US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 — — US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 — — US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 — — US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 — — US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 — — US disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249091-A1 Amide Compounds Useful in Therapy PTGER3, PTGER1, PTGER2 GSK3B 4342/4885CA1 1452/4885CA2 845/4885
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY GNRHR, RXFP1, ARG1 GSK3B 4275/4885CA1 579/4885CA2 726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.